Geometry & MOs

Info

ID:	307494
PubChem CID:	125307142
Reduced:	NO2C11H12 (2)
Stoich.:	AB2C11D12 (2)
Weight, g/mol:	347.184506
ΔH_f, kcal/mol:	-73.37
Dipole, Da:	4.37
IP(EA), eV:	-8.77(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2,5-dimethoxyphenyl)-N-[(2S,3R)-1-hydroxy-3-methylpentan-2-yl]-4H-pyrazole-3-carboxamide

Drug info:

PubChemData

Smile

COCC1=C(C=CC(=C1)[C@H]2[C@@H]3C(=C4C=CC=CC4=N3)C[C@H](N2)C(=O)OC)OC

DOS

IR

Vibrations